Methyl 3-Nitroisonicotinate - CAS 103698-10-8

Catalog:	BB001202
Product Name:	Methyl 3-Nitroisonicotinate
CAS:	103698-10-8
Synonyms:	3-nitro-4-pyridinecarboxylic acid methyl ester; methyl 3-nitropyridine-4-carboxylate

Technical Data

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Literatures

Computed Properties

IUPAC Name:	methyl 3-nitropyridine-4-carboxylate
Description:	Methyl 3-Nitroisonicotinate (CAS# 103698-10-8) is used in preparation of 2-chloro-3-pyridinamine derivatives.
Molecular Weight:	182.13
Molecular Formula:	C7H6N2O4
Canonical SMILES:	COC(=O)C1=C(C=NC=C1)[N+](=O)[O-]
InChI:	InChI=1S/C7H6N2O4/c1-13-7(10)5-2-3-8-4-6(5)9(11)12/h2-4H,1H3
InChI Key:	VFZBLITUPLITGH-UHFFFAOYSA-N
Boiling Point:	278.6 °C at 760 mmHg
Density:	1.375 g/cm³
Storage:	Inert atmosphere, Room Temperature
LogP:	1.29960

Publication Number	Title	Priority Date
CN-109575016-A	PDE9 inhibitor and application thereof	20170928
US-2009312333-A1	2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses	20050601
US-8178533-B2	2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses	20050601
EP-1620105-A1	(6-(phenoxy)-pyrido[3,4-d]pyrimidin-2-yl)-amine derivatives as p38 kinase inhibitors for the treatment of inflammatory conditions such as rheumatoid arthritis	20030416
EP-1620105-B1	(6-(phenoxy)-pyridoÂ¬3,4-d\|pyrimidin-2-yl)-amine derivatives as p38 kinase inhibitors for the treatment of inflammatory conditions such as rheumatoid arthritis	20030416

PMID	Publication Date	Title	Journal
17962783	20060225	A simple synthetic route to methyl 3-fluoropyridine-4-carboxylate by nucleophilic aromatic substitution	Molecules (Basel, Switzerland)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.03275668
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.03275668
Rotatable Bond Count:	2
Topological Polar Surface Area:	85
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5